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Molecule
Copper(I) Bromide
CAS: 7787-70-4 · BrCu
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7787-70-4
- Molecular Formula
- BrCu
- Molecular Mass
- 143.45 g/mol
Identifiers
CAS Registry Number
7787-70-4
SMILES
[Br-].[Cu+]
InChI Key
NKNDPYCGAZPOFS-UHFFFAOYSA-M
InChI
InChI=1S/BrH.Cu/h1H;/q;+1/p-1
Names and Synonyms
- Copper(I) Bromide Common Name
- Copper bromide (CuBr) Synonym
- Cuprous bromide Synonym
- Copper monobromide Synonym
- Copper(1+) bromide Synonym
- Copper(I) bromide Synonym
- Copper(1+) bromide tetramer Synonym
- Copper bromide (Cu4Br4) Synonym
- Cuprous bromide (CuBr) Synonym
- Copper bromide (Cu0.5Br0.5) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.45 g/mol | CAS Common Chemistry |
| 145.466 g/mol | chempirical lib | |
| Density | 4.72 g/cm³ | CAS Common Chemistry |
| 4.72 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Copper(I)_bromide | CAS Common Chemistry |
| Boiling Point | 1345 °C | CAS Common Chemistry |
| Canonical SMILES | [Cu]Br | CAS Common Chemistry |
| InChI | InChI=1S/BrH.Cu/h1H;/q;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=NKNDPYCGAZPOFS-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 504 °C | CAS Common Chemistry |
| Name | Copper bromide (CuBr) | CAS Common Chemistry |
| Heavy Atom Count | 2 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -2.9985 | RDKit |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 141.8479346 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 143.45 g/mol; density = 4.720 g/mL. Edit any field — others recompute live.
